2-(1,3-benzodioxol-5-yl)-4-(3-methoxyphenyl)-2H-chromene-3-carboxylic acid

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-4-(3-methoxyphenyl)-2H-chromene-3-carboxylic acid Openeye Name: 2-(1,3-benzodioxol-5-yl)-4-(3-methoxyphenyl)-2H-chromene-3-carboxylic acid CAS Name: 2-(1,3-benzodioxol-5-yl)-4-(3-methoxyphenyl)-2H-1-benzopyran-3-carboxylic acid IUPAC Name: 2-(1,3-benzodioxol-5-yl)-4-(3-methoxyphenyl)-2H-chromene-3-carboxylic acid Traditional Name: 2-(1,3-benzodioxol-5-yl)-4-(3-methoxyphenyl)-2H-chromene-3-carboxylic acid Formula: C24H18O6 MolecularWeight: 402.39612

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=C(C(OC3=CC=CC=C32)C4=CC5=C(C=C4)OCO5)C(=O)O

Isomeric SMILES

COC1=CC=CC(=C1)C2=C(C(OC3=CC=CC=C32)C4=CC5=C(C=C4)OCO5)C(=O)O

InChI

InChI=1S/C24H18O6/c1-27-16-6-4-5-14(11-16)21-17-7-2-3-8-18(17)30-23(22(21)24(25)26)15-9-10-19-20(12-15)29-13-28-19/h2-12,23H,13H2,1H3,(H,25,26)